WGG

N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide

Created:	2013-01-22
Last modified:	2014-09-24

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1 entries where WGG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

2D diagram of WGG

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Chemical Component Summary
Name	N-(3-methoxybenzyl)-4-oxo-3,4-dihydroquinazoline-2-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[(3-methoxyphenyl)methyl]-4-oxidanylidene-3H-quinazoline-2-carboxamide
Formula	C₁₇ H₁₅ N₃ O₃
Molecular Weight	309.319
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C2=Nc1c(cccc1)C(=O)N2)NCc3cccc(OC)c3
SMILES	CACTVS	3.370	COc1cccc(CNC(=O)C2=Nc3ccccc3C(=O)N2)c1
SMILES	OpenEye OEToolkits	1.7.6	COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	CACTVS	3.370	COc1cccc(CNC(=O)C2=Nc3ccccc3C(=O)N2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	COc1cccc(c1)CNC(=O)C2=Nc3ccccc3C(=O)N2
InChI	InChI	1.03	InChI=1S/C17H15N3O3/c1-23-12-6-4-5-11(9-12)10-18-17(22)15-19-14-8-3-2-7-13(14)16(21)20-15/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
InChIKey	InChI	1.03	AARSEFXVCWMMKV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3337869
PubChem	135566625, 68724549
ChEMBL	CHEMBL3337869

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.